Sodium benzenesulfonate

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  • Identifiers

    CAS number
    515-42-4

    Molecular formula
    C6H5NaO3S

    SMILES
    C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 79.36%
    Burnt 21.66%
    Cooked 20.6%
    Bitter 19.78%
    Sulfurous 19.56%
    Pungent 18.37%
    Savory 16.78%
    Roasted 16.07%
    Aromatic 13.67%
    Sharp 13.13%

     

    Flavor
    Bitter 67.39%
    Odorless 27.33%
    Nitrile 21.97%
    Urine 20.46%
    Moth ball 19.06%
    Taco 19.04%
    Bread crust 19.03%
    Very strong 18.87%
    Naphthelene 18.75%
    Gooseberry 18.72%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    4.88 (weak acid)

    Molecular weight
    180.16 g/mol

    Flash point

    • 109.58 ˚C est.

    Solubility expt.

    • VERY SOL IN HOT WATER; SLIGHTLY SOL IN HOT ALCOHOL

  • Synonyms

    • Sodium benzenesulfonate
    • 515-42-4
    • Benzenesulfonic acid, sodium salt
    • Dispersant GN
    • Sodium phenylsulfonate
    • Sodium benzene sulfonate
    • Sodium benzene monosulfonate
    • SODIUM BENZOSULFONATE
    • K5RM14AZHX
    • SUPRAGIL GN
    • Benzenesulfonic acid, sodium salt (1:1)
    • DTXSID4060157
    • NSC-146
    • RefChem:887291
    • DTXCID9041027
    • 208-198-2
    • Benzenesulfonic acid sodium salt
    • sodium;benzenesulfonate
    • Benzenesulfonate (sodium)
    • C6H5NaO3S
    • MFCD00065179
    • 8046-53-5
    • Benzenesulfonic acid sodium
    • Sodium benzenesulphonate
    • Sodium benzene monosulfate
    • CCRIS 3269
    • HSDB 5426
    • NSC 146
    • EINECS 208-198-2
    • UNII-K5RM14AZHX
    • BENZENESULPHONICACID,SODIUMSALT
    • AI3-19389
    • EC 208-198-2
    • SCHEMBL28929
    • phenylsulfonic acid sodium salt
    • orb2939774
    • SCHEMBL5709691
    • SCHEMBL6409394
    • SCHEMBL28709583
    • SCHEMBL29132384
    • SODIUM BENZOSULFONATE [HSDB]
    • AC2550
    • AKOS002947910
    • AKOS015897621
    • CS-W017226
    • HY-W016510
    • AS-81507
    • FS159641
    • SY004063
    • DB-051984
    • B0035
    • BENZENESULFONIC ACID SODIUM SALT [MI]
    • NS00080442
    • F868734
    • Q27281979
    • 8046-53-5

  • Applications

    Sodium benzenesulfonate (CAS 515-42-4) is used as a chemical intermediate in the synthesis of sulfonated aromatic compounds for dyes and pigments, as a feedstock for sulfonated polymers and ion-exchange materials, and as a processing additive or soluble salt in industrial formulations to introduce sulfonate functionality; it also serves as an analytical reagent in laboratory settings for studies involving sulfonated compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 591.44
    methanol 867.92
    isopropanol 361.89
    water 6.06
    ethyl acetate 583.34
    n-propanol 358.37
    acetone 1028.25
    n-butanol 384.39
    acetonitrile 952.55
    DMF 3347.34
    toluene 186.93
    isobutanol 190.02
    1,4-dioxane 669.06
    methyl acetate 788.08
    THF 955.11
    2-butanone 870.08
    n-pentanol 245.01
    sec-butanol 385.2
    n-hexane 16.91
    ethylene glycol 266.34
    NMP 1091.44
    cyclohexane 32.83
    DMSO 1387.42
    n-butyl acetate 263.77
    n-octanol 416.03
    chloroform 250.79
    n-propyl acetate 297.8
    acetic acid 286.86
    dichloromethane 266.42
    cyclohexanone 581.52
    propylene glycol 226.42
    isopropyl acetate 298.55
    DMAc 1546.83
    2-ethoxyethanol 691.66
    isopentanol 243.97
    n-heptane 24.94
    ethyl formate 442.59
    1,2-dichloroethane 378.46
    n-hexanol 286.64
    2-methoxyethanol 1577.35
    isobutyl acetate 92.46
    tetrachloromethane 37.14
    n-pentyl acetate 308.29
    transcutol 2748.36
    n-heptanol 218.88
    ethylbenzene 110.46
    MIBK 291.18
    2-propoxyethanol 637.2
    tert-butanol 322.21
    MTBE 289.66
    2-butoxyethanol 449.98
    propionic acid 284.99
    o-xylene 157.63
    formic acid 307.97
    diethyl ether 497.59
    m-xylene 138.42
    p-xylene 93.58
    chlorobenzene 193.77
    dimethyl carbonate 339.82
    n-octane 23.95
    formamide 1018.77
    cyclopentanone 766.06
    2-pentanone 685.1
    anisole 316.29
    cyclopentyl methyl ether 370.91
    gamma-butyrolactone 699.95
    1-methoxy-2-propanol 1056.7
    pyridine 612.53
    3-pentanone 479.37
    furfural 740.38
    n-dodecane 25.42
    diethylene glycol 623.82
    diisopropyl ether 110.9
    tert-amyl alcohol 342.89
    acetylacetone 677.71
    n-hexadecane 28.71
    acetophenone 312.76
    methyl propionate 603.93
    isopentyl acetate 162.49
    trichloroethylene 565.74
    n-nonanol 351.8
    cyclohexanol 256.29
    benzyl alcohol 262.43
    2-ethylhexanol 148.74
    isooctanol 133.48
    dipropyl ether 150.21
    1,2-dichlorobenzene 182.89
    ethyl lactate 214.67
    propylene carbonate 308.54
    n-methylformamide 1365.18
    2-pentanol 307.49
    n-pentane 31.78
    1-propoxy-2-propanol 400.23
    1-methoxy-2-propyl acetate 321.68
    2-(2-methoxypropoxy) propanol 463.04
    mesitylene 88.41
    ε-caprolactone 480.96
    p-cymene 69.24
    epichlorohydrin 873.65
    1,1,1-trichloroethane 176.86
    2-aminoethanol 372.93
    morpholine-4-carbaldehyde 1301.67
    sulfolane 722.29
    2,2,4-trimethylpentane 13.41
    2-methyltetrahydrofuran 555.76
    n-hexyl acetate 535.35
    isooctane 9.41
    2-(2-butoxyethoxy)ethanol 844.91
    sec-butyl acetate 176.08
    tert-butyl acetate 297.26
    decalin 16.36
    glycerin 392.2
    diglyme 1112.44
    acrylic acid 296.16
    isopropyl myristate 176.52
    n-butyric acid 330.18
    acetyl acetate 239.9
    di(2-ethylhexyl) phthalate 119.67
    ethyl propionate 286.73
    nitromethane 1386.29
    1,2-diethoxyethane 594.02
    benzonitrile 351.89
    trioctyl phosphate 114.27
    1-bromopropane 185.26
    gamma-valerolactone 952.99
    n-decanol 264.59
    triethyl phosphate 86.54
    4-methyl-2-pentanol 132.92
    propionitrile 490.49
    vinylene carbonate 320.55
    1,1,2-trichlorotrifluoroethane 469.72
    DMS 315.13
    cumene 61.34
    2-octanol 230.45
    2-hexanone 344.13
    octyl acetate 267.24
    limonene 93.78
    1,2-dimethoxyethane 942.49
    ethyl orthosilicate 77.44
    tributyl phosphate 128.56
    diacetone alcohol 501.9
    N,N-dimethylaniline 210.02
    acrylonitrile 842.56
    aniline 244.61
    1,3-propanediol 544.77
    bromobenzene 165.09
    dibromomethane 183.68
    1,1,2,2-tetrachloroethane 429.71
    2-methyl-cyclohexyl acetate 113.56
    tetrabutyl urea 224.85
    diisobutyl methanol 83.64
    2-phenylethanol 267.15
    styrene 140.56
    dioctyl adipate 196.95
    dimethyl sulfate 475.3
    ethyl butyrate 185.89
    methyl lactate 445.62
    butyl lactate 290.02
    diethyl carbonate 118.51
    propanediol butyl ether 671.58
    triethyl orthoformate 108.45
    p-tert-butyltoluene 69.22
    methyl 4-tert-butylbenzoate 268.87
    morpholine 918.01
    tert-butylamine 157.2
    n-dodecanol 187.55
    dimethoxymethane 1288.99
    ethylene carbonate 231.84
    cyrene 257.77
    2-ethoxyethyl acetate 460.38
    2-ethylhexyl acetate 134.47
    1,2,4-trichlorobenzene 201.71
    4-methylpyridine 569.14
    dibutyl ether 273.95
    2,6-dimethyl-4-heptanol 83.64
    DEF 995.84
    dimethyl isosorbide 491.0
    tetrachloroethylene 258.39
    eugenol 367.72
    triacetin 327.42
    span 80 339.24
    1,4-butanediol 202.07
    1,1-dichloroethane 250.32
    2-methyl-1-pentanol 176.35
    methyl formate 901.8
    2-methyl-1-butanol 251.34
    n-decane 42.08
    butyronitrile 467.05
    3,7-dimethyl-1-octanol 226.32
    1-chlorooctane 166.08
    1-chlorotetradecane 66.79
    n-nonane 38.91
    undecane 32.58
    tert-butylcyclohexane 12.08
    cyclooctane 18.07
    cyclopentanol 272.92
    tetrahydropyran 457.72
    tert-amyl methyl ether 300.87
    2,5,8-trioxanonane 838.35
    1-hexene 77.26
    2-isopropoxyethanol 380.04
    2,2,2-trifluoroethanol 154.28
    methyl butyrate 380.87

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction